0 mol 16 unq 0 iso 0 dist 8.62634 5.65481 9.04834 10.0048 5.37568 7.65889 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.62634 10.0664 8.17898 10.0048 5.37568 6.42835 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.62634 10.0664 8.17898 14.9497 9.62324 6.57331 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.66616 9.83216 8.23292 11.0874 11.7739 7.52933 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.66616 9.83216 8.23292 15.0775 13.0315 6.55597 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.66616 9.83216 8.23292 16.5907 9.6847 9.71956 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 8.66616 9.83216 8.23292 14.7132 9.50063 7.07751 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 8.66616 9.83216 8.23292 12.0667 9.6251 8.23761 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 8.66616 9.83216 8.23292 17.0377 10.985 9.49421 numMergedOcc 0
9 mol 38 unq 0 iso 0 dist 6.56791 5.45587 7.57586 10.7843 5.45205 9.19165 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 7.32436 5.40129 8.62769 6.94712 5.17091 7.16132 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 9.28075 5.63684 6.46655 11.1847 9.85425 6.56212 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 8.71324 7.70414 9.10915 10.7474 6.24019 9.86334 numMergedOcc 0
13 mol 64 unq 1 iso 0 dist 9.5663 7.70414 5.54343 10.7474 5.18166 9.86334 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 5.84349 4.16047 8.26838 8.57607 8.32734 8.27883 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 5.84349 4.16047 8.26838 6.1991 4.79063 5.75428 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 5.84349 4.16047 8.26838 5.96246 4.05985 8.57395 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 5.84349 4.16047 8.26838 10.1197 12.6917 9.85409 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 7.60412 8.36322 8.46734 8.59103 4.57343 6.29161 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 7.60412 8.36322 8.46734 10.3079 11.3914 7.86666 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.79014 5.23924 5.97879 9.84557 5.33859 5.7144 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 9.24204 5.21119 5.67862 14.4558 7.77359 9.33924 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.24204 5.21119 5.67862 10.9586 10.8891 7.93372 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.42226 9.40374 7.45401 9.00537 5.85073 6.61112 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.55389 10.1816 7.7292 13.0203 5.99091 7.9133 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 7.55389 7.7596 6.27396 10.8139 5.22975 5.94972 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.49961 17.1024 9.27989 11.4346 3.28983 6.73665 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 5.97672 6.15778 8.21206 8.51613 5.16962 6.59244 numMergedOcc 0
